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WLE

Summary
Name:4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide
Formula:C14 H15 N3 O4 S
Formal charge:0
Formula weight:321.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide
OpenEye OEToolkits2.0.71-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(N)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI1.06InChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyInChI1.06POERGDGPHIWSKB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1
SMILESCACTVS3.385COc1cccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N

221051

PDB entries from 2024-06-12

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